N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide

C21H27N3O4S — CID 9100423

IUPACN-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O4S/c1-16-10-11-17(14-20(16)29(26,27)24-12-6-3-7-13-24)22-15-21(25)23-18-8-4-5-9-19(18)28-2/h4-5,8-11,14,22H,3,6-7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyHYUDUTTYCMRRBF-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.23
Rot. Bonds7

About N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide

N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 9100423) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID9100423
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O4S/c1-16-10-11-17(14-20(16)29(26,27)24-12-6-3-7-13-24)22-15-21(25)23-18-8-4-5-9-19(18)28-2/h4-5,8-11,14,22H,3,6-7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyHYUDUTTYCMRRBF-UHFFFAOYSA-N
XLogP3.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 26438243
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 42996635
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide (CID 9100423) is N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide is COc1ccccc1NC(=O)CNc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is HYUDUTTYCMRRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-10-11-17(14-20(16)29(26,27)24-12-6-3-7-13-24)22-15-21(25)23-18-8-4-5-9-19(18)28-2/h4-5,8-11,14,22H,3,6-7,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 417.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9100423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).